Vitas-M small molecule compound
ethyl 6-ethyl-2-[({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK037345
SMILES CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(n2)C(F)(F)F)sc2c1CCC(C2)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H24F3N3O3S2 MW 487.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F3N3O3S2/c1-4-12-6-7-13-14(9-12)32-18(17(13)19(29)30-5-2)27-16(28)10-31-20-25-11(3)8-15(26-20)21(22,23)24/h8,12H,4-7,9-10H2,1-3H3,(H,27,28)InChIKey
XWMNXAXOBRWAMM-UHFFFAOYSA-NSynonyms
317325-44-3317325443
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C
CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(n2)C(F)(F)F)sc2c1CCC(C2)CC
ethyl6ethyl2((((4methyl6(trifluoromethyl)pyrimidin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((2(4methyl6(trifluoromethyl)pyrimidin2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2(2((4methyl6(trifluoromethyl)pyrimidin2yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC21H24F3N3O3S2c1412671314(912)3218(17(13)19(29)3052)2716(28)1031202511(3)815(2620)21(2223)24h812H47910H213H3(H2728)
MFCD02086239
STK037345
ZINC000001413021
ZINC000001413022
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